SCHEMBL6559980

SCHEMBL6559980

ON=C1CC2(CCCCC2)Oc2ccc(F)cc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.44
HTT P42858 1/20 0.44
ATM Q13315 1/20 0.44
HSD11B1 P28845 1/20 0.43
RAD52 P43351 1/20 0.38
ALDH1A1 P00352 5/20 0.36
HPGD P15428 3/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
HSD17B10 Q99714 1/20 0.36
EGFR P00533 1/20 0.36
BRAF P15056 1/20 0.36
HDAC3 O15379 3/20 0.35
HDAC4 P56524 3/20 0.35
HDAC1 Q13547 3/20 0.35
HDAC7 Q8WUI4 3/20 0.35
HDAC2 Q92769 3/20 0.35
HDAC10 Q969S8 3/20 0.35
HDAC11 Q96DB2 3/20 0.35
HDAC8 Q9BY41 3/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7818526 1.00 KDM4E (0.44) KDM4EHTTATMHSD11B1RAD52
SCHEMBL7825613 0.99 HSD11B1 (0.44) KDM4EHTTATMHSD11B1RAD52
SCHEMBL6558688 0.99 HSD11B1 (0.44) KDM4EHTTATMHSD11B1RAD52
SCHEMBL620252 0.96 HSD11B1 (0.44) KDM4EHTTATMHSD11B1RAD52
SCHEMBL620251 0.96 HSD11B1 (0.44) KDM4EHTTATMHSD11B1RAD52
SCHEMBL619621 0.84 RAD52 (0.39) KDM4EHTTATMHSD11B1RAD52
SCHEMBL619620 0.84 RAD52 (0.39) KDM4EHTTATMHSD11B1RAD52
SCHEMBL617980 0.80 KMT2A (0.44) KDM4EHTTATMRAD52ALDH1A1
SCHEMBL617981 0.80 KMT2A (0.44) KDM4EHTTATMRAD52ALDH1A1
SCHEMBL3326706 0.80 HSD11B1 (0.42) KDM4EHTTATMHSD11B1ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0807629-B1 Sulfonamido substituted chromane derivatives, method for their preparation, their use as medicaments or diagnostic agents aswell as medicaments containing them AVENTIS PHARMA GMBH (DE) 2004-03-03 EP disclosed
US-6191164-B1 POTASSIUM CHANNEL MODULATORS; ANTIULCER AGENTS HOECHST AKTIENGESELLSCHAFT (DE) 2001-02-20 US disclosed
EP-0807629-A1 Sulfonamido substituted chromane derivatives, method for their preparation, their use as medicaments or diagnostic agents aswell as medicaments containing them HOECHST AKTIENGESELLSCHAFT (DE) 1997-11-19 EP disclosed